1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone

C11H12F2O2 — CID 131525563

IUPAC1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
SMILESCC(=O)c1cc(C)c(OC(F)F)c(C)c1
InChIInChI=1S/C11H12F2O2/c1-6-4-9(8(3)14)5-7(2)10(6)15-11(12)13/h4-5,11H,1-3H3
InChIKeyUUNZAFFUGYLNFO-UHFFFAOYSA-N
MW214.21 g/mol
LogP3.11
Rot. Bonds3

About 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone

1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone (PubChem CID 131525563) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
PubChem CID131525563
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
SMILESCC(=O)c1cc(C)c(OC(F)F)c(C)c1
InChIInChI=1S/C11H12F2O2/c1-6-4-9(8(3)14)5-7(2)10(6)15-11(12)13/h4-5,11H,1-3H3
InChIKeyUUNZAFFUGYLNFO-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(difluoromethoxy)-4-fluoro-5-methylphenyl]ethanone
CID 131616126
4-acetyl-2-(difluoromethoxy)-6-methylbenzaldehyde
CID 171032070
(2R)-2-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]propanoic acid
CID 97234306
1-[3-chloro-5-(difluoromethoxy)-4-methylphenyl]ethanone
CID 171006356
3-[[4-(difluoromethoxy)-3,5-dimethylbenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249228
N-(3-aminobutyl)-4-(difluoromethoxy)-3,5-dimethylbenzamide
CID 119499066
1-[3-(difluoromethoxy)-5-ethyl-4-methylphenyl]ethanone
CID 171031742
1-[2-(difluoromethoxy)-3-iodo-4-methylphenyl]ethanone
CID 131629632
[4-(difluoromethoxy)-3,5-dimethylphenyl]-propan-2-ylcarbamic acid
CID 70522523
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
1-(3-acetyl-4-methoxy-5-methylphenyl)ethanone
CID 158699125
1-[2-(difluoromethoxy)-3-fluoro-4-methylphenyl]ethanone
CID 131616132

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone?
The IUPAC name of 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone (CID 131525563) is 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone?
The canonical SMILES for 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone is CC(=O)c1cc(C)c(OC(F)F)c(C)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone?
The InChIKey is UUNZAFFUGYLNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-6-4-9(8(3)14)5-7(2)10(6)15-11(12)13/h4-5,11H,1-3H3.
What are the key properties of 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone?
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone has a molecular weight of 214.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone is sourced from PubChem (CID 131525563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).